AMBER Archive (2009)
Subject: [AMBER] Carbon Nanotube Library file (CNT)
From: Christopher Stiles (cdstiles1986_at_gmail.com)
Date: Mon Sep 14 2009 - 08:59:57 CDT
I am currently looking to use AMBER to run simulations on carbon
nanotubes and other non-biological materials. I have previously done this
with GROMACS, thus I understand the sp2 bond information for the CNT's more
then likely must be manually defined. What I have gleened from the mailing
list arcives is that this is not done through modifying the force fields
them selves but creating a *.lib file that defines these values. I was
hoping that some one could point me in the direction of a referance as to
the formating of the *.lib files needed for imput into AMBER. Additionaly
and other tips that one might give to some one new to AMBER.
Thank you for your time and effort!
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